(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide

C18H16Cl2N4O3 — CID 154877683

IUPAC(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide
SMILESO=C(Nc1[nH]nc2[nH]c(=O)ccc12)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N4O3/c19-9-3-4-10(13(20)8-9)15-11(2-1-7-27-15)18(26)22-17-12-5-6-14(25)21-16(12)23-24-17/h3-6,8,11,15H,1-2,7H2,(H3,21,22,23,24,25,26)/t11-,15+/m1/s1
InChIKeyIJQXRAZDDVENIA-ABAIWWIYSA-N
MW407.26 g/mol
LogP3.66
Rot. Bonds3

About (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide

(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide (PubChem CID 154877683) has the molecular formula C18H16Cl2N4O3 and a molecular weight of 407.26 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide
PubChem CID154877683
Molecular FormulaC18H16Cl2N4O3
Molecular Weight407.26 g/mol
Exact Mass406.06
IUPAC Name(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide
SMILESO=C(Nc1[nH]nc2[nH]c(=O)ccc12)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N4O3/c19-9-3-4-10(13(20)8-9)15-11(2-1-7-27-15)18(26)22-17-12-5-6-14(25)21-16(12)23-24-17/h3-6,8,11,15H,1-2,7H2,(H3,21,22,23,24,25,26)/t11-,15+/m1/s1
InChIKeyIJQXRAZDDVENIA-ABAIWWIYSA-N
XLogP3.66
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-(2,4-dichlorophenyl)oxane-3-carboxylic acid
CID 96561046
(1-ethyl-5-oxopyrrolidin-3-yl)methyl 2-(2,4-dichlorophenyl)oxane-3-carboxylate
CID 86815129
[(2R)-1-pyridin-3-ylpropan-2-yl] (2S,3S)-2-(2,4-dichlorophenyl)oxane-3-carboxylate
CID 99783253
[1-(cyanomethyl)piperidin-4-yl] (2S,3S)-2-(2,4-dichlorophenyl)oxane-3-carboxylate
CID 99783245
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 75444696
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide
CID 126553143
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 97211305
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
CID 166391108
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide (CID 154877683) is (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide is O=C(Nc1[nH]nc2[nH]c(=O)ccc12)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide?
The InChIKey is IJQXRAZDDVENIA-ABAIWWIYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3/c19-9-3-4-10(13(20)8-9)15-11(2-1-7-27-15)18(26)22-17-12-5-6-14(25)21-16(12)23-24-17/h3-6,8,11,15H,1-2,7H2,(H3,21,22,23,24,25,26)/t11-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide?
(2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide has a molecular weight of 407.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-dichlorophenyl)-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 154877683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).